Geometry & MOs

Info

ID:	441111
PubChem CID:	135233148
Reduced:	NC23H37 (1)
Stoich.:	AB23C37 (1)
Weight, g/mol:	636.242723
ΔH_f, kcal/mol:	14.16
Dipole, Da:	2.54
IP(EA), eV:	-8.07(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(3-tert-butylphenyl)-N-[(2S,4Z,6Z)-8-chloro-1-[(3,3-difluorocyclobutyl)amino]-3-methylidene-1-oxoocta-4,6-dien-2-yl]-1-(4-cyanopyrimidin-2-yl)-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCC(=C)/C(=C(\C)/C=C(\CC=C)/C(C)CC/C=C/NC(=C)CC)/C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCC(=C)/C(=C(\C)/C=C(\CC=C)/C(C)CC/C=C/NC(=C)CC)/C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):