Geometry & MOs

Info

ID:	441155
PubChem CID:	135233356
Reduced:	NSO4C27H37 (1)
Stoich.:	ABC4D27E37 (1)
Weight, g/mol:	456.296122
ΔH_f, kcal/mol:	-150.06
Dipole, Da:	4.7
IP(EA), eV:	-8.36(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[5-(2,2-dimethylpropylamino)-6-[methyl(nitroso)amino]pyridin-2-yl]-2,2-dimethylcyclohexyl]-2-(1,2,4-triazol-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)CCCC(C)C)/C=C(\C)/C(=C\2/C(=O)C=C(OC2=O)C(C)CC/C=C/NC)/O

DOS

IR

Vibrations