Geometry & MOs

Info

ID:	245669
PubChem CID:	100053922
Reduced:	SN2O5C20H26 (1)
Stoich.:	AB2C5D20E26 (1)
Weight, g/mol:	305.119798
ΔH_f, kcal/mol:	-171.36
Dipole, Da:	3.42
IP(EA), eV:	-8.58(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(S)-(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCNC(=O)[C@H](C)N(C2=CC(=CC=C2)OC)S(=O)(=O)C

DOS

IR

Vibrations