Geometry & MOs

Info

ID:	178985
PubChem CID:	76413061
Reduced:	N2O3C18H27 (2)
Stoich.:	A2B3C18D27 (2)
Weight, g/mol:	376.178693
ΔH_f, kcal/mol:	-297.16
Dipole, Da:	4.55
IP(EA), eV:	-9.75(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(3,5-dimethylphenyl)-2-oxoethyl]amino]-3-(4-pyrrol-1-ylphenyl)propanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)C(CCCC(=O)OCC1=CC=CC=C1)NC(=O)NCC2=CC=CC=N2

DOS

IR

Vibrations