Geometry & MOs

Info

ID:	135703
PubChem CID:	51920035
Reduced:	N2O6H22C23 (1)
Stoich.:	A2B6C22D23 (1)
Weight, g/mol:	426.215472
ΔH_f, kcal/mol:	-195.93
Dipole, Da:	9.44
IP(EA), eV:	-9.3(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] (2R)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)OCC(=O)C1=CC=C(C=C1)NC(=O)C)N2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations