Geometry & MOs

Info

ID:	64052
PubChem CID:	26759773
Reduced:	NSO3C10H12 (2)
Stoich.:	ABC3D10E12 (2)
Weight, g/mol:	363.194677
ΔH_f, kcal/mol:	-212.23
Dipole, Da:	4.48
IP(EA), eV:	-9.2(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-[(2S)-butan-2-yl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations