Geometry & MOs

Info

ID:	235418
PubChem CID:	92708736
Reduced:	N3O3C25H29 (1)
Stoich.:	A3B3C25D29 (1)
Weight, g/mol:	433.236542
ΔH_f, kcal/mol:	-80.48
Dipole, Da:	5.89
IP(EA), eV:	-8.92(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-3-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methylcarbamoylamino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CCOC(=O)C[C@@H](C1=CC=CC=C1)NC(=O)NCC2=CC=CN2CC3=CC=CC(=C3)C

DOS

IR

Vibrations