Geometry & MOs

Info

ID:	242857
PubChem CID:	99213399
Reduced:	NSO3C21H25 (1)
Stoich.:	ABC3D21E25 (1)
Weight, g/mol:	401.06266
ΔH_f, kcal/mol:	-108.48
Dipole, Da:	4.33
IP(EA), eV:	-8.84(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-2-[[(Z)-3-(3-bromophenyl)prop-2-enoyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)CCSC2=CC=C(C=C2)C

DOS

IR

Vibrations