Geometry & MOs

Info

ID:	214470
PubChem CID:	85083093
Reduced:	O7N8C23H38 (1)
Stoich.:	A7B8C23D38 (1)
Weight, g/mol:	538.304287
ΔH_f, kcal/mol:	-323.21
Dipole, Da:	10.63
IP(EA), eV:	-9.51(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-2-methoxy-8-methyl-N-(2-oxoazepan-3-yl)-3,4-bis(phenylmethoxy)non-6-enamide

Drug info:

PubChemData

Smile

C1CCC(=O)N2CCCC2C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC1)CC(=O)O)CCCN=C(N)N

DOS

IR

Vibrations