Geometry & MOs

Info

ID:	136071
PubChem CID:	51974294
Reduced:	N4C25H26 (1)
Stoich.:	A4B25C26 (1)
Weight, g/mol:	413.05008
ΔH_f, kcal/mol:	71.0
Dipole, Da:	2.44
IP(EA), eV:	-7.86(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2S)-2-[3-(4-bromoindol-1-yl)propanoylamino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC1=C(N(C2=NC3=C(C[C@@H](CC3)C4=CC=CC=C4)C(=C12)N)CC5=CC=CC=N5)C

DOS

IR

Vibrations