Geometry & MOs

Info

ID:	64521
PubChem CID:	29202753
Reduced:	S2O4N5C21H33 (1)
Stoich.:	A2B4C5D21E33 (1)
Weight, g/mol:	377.210327
ΔH_f, kcal/mol:	-160.69
Dipole, Da:	8.56
IP(EA), eV:	-9.19(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methoxypropyl)-1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1S[C@@H](C)C(=O)NC(=O)NCC

DOS

IR

Vibrations