Geometry & MOs

Info

ID:	137145
PubChem CID:	52158910
Reduced:	ClO3N4H21C22 (1)
Stoich.:	AB3C4D21E22 (1)
Weight, g/mol:	438.145868
ΔH_f, kcal/mol:	-45.49
Dipole, Da:	7.32
IP(EA), eV:	-9.07(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-6-chloro-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)O[C@@](C(=O)N2)(C)C(=O)NC3=CC=NN3[C@H](C)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations