Geometry & MOs

Info

ID:	420937
PubChem CID:	135115066
Reduced:	ClO2N4C20H29 (1)
Stoich.:	AB2C4D20E29 (1)
Weight, g/mol:	442.192629
ΔH_f, kcal/mol:	-73.78
Dipole, Da:	3.63
IP(EA), eV:	-8.68(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylsulfonylphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Cl)C)OC(C)C(=O)N(CCN(C)C)CC2=C(NC=N2)C

DOS

IR

Vibrations