Geometry & MOs

Info

ID:	20225
PubChem CID:	582728
Reduced:	N3O5C26H31 (1)
Stoich.:	A3B5C26D31 (1)
Weight, g/mol:	465.226371
ΔH_f, kcal/mol:	-191.45
Dipole, Da:	3.09
IP(EA), eV:	-8.41(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 2-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoate

Drug info:

PubChemData

Smile

CCCCOC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C

DOS

IR

Vibrations