Geometry & MOs

Info

ID:	181824
PubChem CID:	76799249
Reduced:	NOC15H25 (1)
Stoich.:	ABC15D25 (1)
Weight, g/mol:	596.321
ΔH_f, kcal/mol:	-52.66
Dipole, Da:	3.36
IP(EA), eV:	-8.69(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[9-amino-1-[ethyl-(3-methyl-7-oxo-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-9-carbonyl)amino]-4-oxononan-5-yl]amino]-3-oxopropanoic acid

Drug info:

PubChemData

Smile

CCC(C1=CC(=CC=C1)O)C(C)CN(C)CC

DOS

IR

Vibrations