Geometry & MOs

Info

ID:	368048
PubChem CID:	127327018
Reduced:	O3N5C18H23 (1)
Stoich.:	A3B5C18D23 (1)
Weight, g/mol:	386.141262
ΔH_f, kcal/mol:	-77.52
Dipole, Da:	4.62
IP(EA), eV:	-9.51(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(6-cyclopropylpyridazin-3-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)NC3=NN=C(C=C3)C4CC4

DOS

IR

Vibrations