Geometry & MOs

Info

ID:	126019
PubChem CID:	50948616
Reduced:	N5C24H27 (1)
Stoich.:	A5B24C27 (1)
Weight, g/mol:	409.163771
ΔH_f, kcal/mol:	89.18
Dipole, Da:	7.24
IP(EA), eV:	-8.04(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[3-(2-ethoxyanilino)-3-oxopropanoyl]amino]-3-(1H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C(C)C)C)C2=C(N=CN2CCC3=NC=CN=C3)C4=CC=CC=C4

DOS

IR

Vibrations