Geometry & MOs

Info

ID:	245073
PubChem CID:	99437372
Reduced:	S2N3O4H15C19 (1)
Stoich.:	A2B3C4D15E19 (1)
Weight, g/mol:	451.101348
ΔH_f, kcal/mol:	-32.74
Dipole, Da:	6.14
IP(EA), eV:	-8.67(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-3-[[4-(difluoromethylsulfonyl)phenyl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)OC(=O)C2=CN3C=CN=C3C=C2)S(=O)(=O)C4=CC=CS4

DOS

IR

Vibrations