Geometry & MOs

Info

ID:	63050
PubChem CID:	26738248
Reduced:	ClSN2O3H13C18 (1)
Stoich.:	ABC2D3E13F18 (1)
Weight, g/mol:	362.293328
ΔH_f, kcal/mol:	-72.61
Dipole, Da:	3.36
IP(EA), eV:	-9.06(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-[(1S,2R)-2-methylcyclohexyl]-4-N-[(1R,2S)-2-methylcyclohexyl]cyclohexane-1,4-dicarboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NC(=O)C2=CC=C(C=C2)/C=C\3/C(=O)NC(=O)S3

DOS

IR

Vibrations