Geometry & MOs

Info

ID:	44007
PubChem CID:	10322871
Reduced:	N3O5C27H33 (1)
Stoich.:	A3B5C27D33 (1)
Weight, g/mol:	479.242021
ΔH_f, kcal/mol:	-176.94
Dipole, Da:	6.55
IP(EA), eV:	-8.55(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[[(4S)-1-benzoyl-3-oxoazepan-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(NC1)N=C(C=C2)CC(=O)N3CCC(CC3)CCC(CC(=O)O)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations