Geometry & MOs

Info

ID:	155346
PubChem CID:	56352935
Reduced:	ClO3N6C25H31 (1)
Stoich.:	AB3C6D25E31 (1)
Weight, g/mol:	489.148905
ΔH_f, kcal/mol:	-69.95
Dipole, Da:	2.21
IP(EA), eV:	-8.5(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-4-[7-(5-methylthiophen-2-yl)-4,7-dioxoheptanoyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=C1C(=NN2C)OC)C)CCC(=O)N3CCCN(CC3)C(=O)NC4=CC(=CC=C4)Cl

DOS

IR

Vibrations