Geometry & MOs

Info

ID:	163189
PubChem CID:	57654306
Reduced:	SN6O6C24H40 (1)
Stoich.:	AB6C6D24E40 (1)
Weight, g/mol:	499.304621
ΔH_f, kcal/mol:	-274.03
Dipole, Da:	5.54
IP(EA), eV:	-9.09(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[[4-[2-(methylamino)cyclohexene-1-carbonyl]phenyl]methylamino]-2-oxoethoxy]-N-(6-oxoheptyl)butanamide

Drug info:

PubChemData

Smile

CC(C)(C(=O)C[C@@H](CCCCNC(=O)CCS)C(=O)C[C@@H](CO)C(=O)N)NC(=O)[C@H](CC1=CN=CN1)N

DOS

IR

Vibrations