Geometry & MOs

Info

ID:	310758
PubChem CID:	126587269
Reduced:	ClNOH16C17 (1)
Stoich.:	ABCD16E17 (1)
Weight, g/mol:	555.334207
ΔH_f, kcal/mol:	-23.34
Dipole, Da:	2.12
IP(EA), eV:	-8.91(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,8-dimethyl-3,7-dioxononan-4-yl)-6-methyl-4-[[6-methyl-4-(methylsulfanylamino)-5-oxoheptanoyl]amino]-5-oxoheptanamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)C2=C(C=CC3=C2CCC(=O)N3)Cl

DOS

IR

Vibrations