Geometry & MOs

Info

ID:	182163
PubChem CID:	76854829
Reduced:	SN3O3H23C24 (1)
Stoich.:	AB3C3D23E24 (1)
Weight, g/mol:	315.158292
ΔH_f, kcal/mol:	-28.61
Dipole, Da:	4.69
IP(EA), eV:	-9.14(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-methyl-2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]butanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)C(C)NC3=NS(=O)(=O)C4=CC=CC=C43

DOS

IR

Vibrations