Geometry & MOs

Info

ID:	64519
PubChem CID:	29202751
Reduced:	S2O4N5C19H29 (1)
Stoich.:	A2B4C5D19E29 (1)
Weight, g/mol:	365.173942
ΔH_f, kcal/mol:	-152.96
Dipole, Da:	5.38
IP(EA), eV:	-9.38(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methoxyphenyl)-N-(3-methoxypropyl)-1-phenylpyrazole-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)N

DOS

IR

Vibrations