Geometry & MOs

Info

ID:	139401
PubChem CID:	52522657
Reduced:	S2N3O4C20H21 (1)
Stoich.:	A2B3C4D20E21 (1)
Weight, g/mol:	311.154172
ΔH_f, kcal/mol:	-73.72
Dipole, Da:	14.24
IP(EA), eV:	-8.4(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl-[methylamino-[(4-pyrrolidin-1-ylsulfonylphenyl)methylamino]methylidene]azanium

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)S(=O)(=O)N(C)C)NC(=O)C2=CSC(=C3C=CC(=O)C=C3)N2

DOS

IR

Vibrations