Geometry & MOs

Info

ID:	313634
PubChem CID:	126616763
Reduced:	ClO2N3C25H34 (1)
Stoich.:	AB2C3D25E34 (1)
Weight, g/mol:	407.257277
ΔH_f, kcal/mol:	-104.72
Dipole, Da:	4.99
IP(EA), eV:	-9.55(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]-1-phenylethyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)C(=O)NC[C@H](C2=CC=CC=C2)NC(=O)C3=CC=CC=N3)C(C)C.Cl

DOS

IR

Vibrations