Geometry & MOs

Info

ID:	190693
PubChem CID:	78042610
Reduced:	ClN3O3C28H30 (1)
Stoich.:	AB3C3D28E30 (1)
Weight, g/mol:	346.119858
ΔH_f, kcal/mol:	-36.05
Dipole, Da:	4.75
IP(EA), eV:	-8.71(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-hydroxy-1-methoxy-3-(1-methyl-2,5-dioxopyrrol-3-yl)sulfanylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2CN(CCN2C3=C(C=C(C=C3)OCCO)Cl)CC(C4=CC=C(C=C4)C#N)O

DOS

IR

Vibrations