Geometry & MOs

Info

ID:	33119
PubChem CID:	7884978
Reduced:	N4O4C21H28 (1)
Stoich.:	A4B4C21D28 (1)
Weight, g/mol:	400.211055
ΔH_f, kcal/mol:	-140.79
Dipole, Da:	9.8
IP(EA), eV:	-8.56(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H](C)N1C(=CC=N1)NC(=O)[C@@H](C)OC(=O)CNC(=O)C2=CC(=C(C=C2)C)C

DOS

IR

Vibrations