Geometry & MOs

Info

ID:	192429
PubChem CID:	78268148
Reduced:	SN3O4C20H32 (1)
Stoich.:	AB3C4D20E32 (1)
Weight, g/mol:	385.042908
ΔH_f, kcal/mol:	-121.6
Dipole, Da:	6.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752300
Charge, e:	-1

Chem-info

IUPAC name:

pyrimidin-2-yl-[4-(3-thiophen-2-ylprop-2-enoylamino)phenyl]sulfonylazanide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)N(C)C3CC[NH+](CC3)C

DOS

IR

Vibrations