Geometry & MOs

Info

ID:	159274
PubChem CID:	57269403
Reduced:	O9C35H36 (1)
Stoich.:	A9B35C36 (1)
Weight, g/mol:	320.137222
ΔH_f, kcal/mol:	-260.95
Dipole, Da:	2.03
IP(EA), eV:	-9.48(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-6-amino-5-[(4-methoxyphenyl)methyl]-2-methyl-5-(methylamino)-4,6-dioxohex-2-enoic acid

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C(=O)OCCOC=C)(C2=CC=C(C=C2)C(=O)OCCOC=C)C3=CC=C(C=C3)C(=O)OCCOC=C

DOS

IR

Vibrations