Geometry & MOs

Info

ID:	33213
PubChem CID:	7885421
Reduced:	N3O5C22H25 (1)
Stoich.:	A3B5C22D25 (1)
Weight, g/mol:	363.179421
ΔH_f, kcal/mol:	-172.22
Dipole, Da:	7.98
IP(EA), eV:	-9.22(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)N(C)C)C

DOS

IR

Vibrations