Geometry & MOs

Info

ID:	60779
PubChem CID:	26702101
Reduced:	SN2O4C20H24 (1)
Stoich.:	AB2C4D20E24 (1)
Weight, g/mol:	453.143704
ΔH_f, kcal/mol:	-97.27
Dipole, Da:	10.57
IP(EA), eV:	-9.4(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-1,3-benzoxazol-5-yl)-2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]acetamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)N(C)C(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)NC3CC3

DOS

IR

Vibrations