Geometry & MOs

Info

ID:	33118
PubChem CID:	7884977
Reduced:	NO4C19H21 (1)
Stoich.:	AB4C19D21 (1)
Weight, g/mol:	400.211055
ΔH_f, kcal/mol:	-136.23
Dipole, Da:	5.33
IP(EA), eV:	-9.21(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]amino]-1-oxopropan-2-yl] 2-[(3,4-dimethylbenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=CC=CC(=C2)C

DOS

IR

Vibrations