Geometry & MOs

Info

ID:	151377
PubChem CID:	53801164
Reduced:	ON3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	460.275964
ΔH_f, kcal/mol:	16.8
Dipole, Da:	4.18
IP(EA), eV:	-8.97(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-3-(cyclohexylmethylsulfanyl)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]cycloheptanecarboxamide

Drug info:

PubChemData

Smile

CN1CCC(CC1)(C2=CC=CC=C2)C(=O)N3C=CN=C3

DOS

IR

Vibrations