Geometry & MOs

Info

ID:	244525
PubChem CID:	99360783
Reduced:	SO4N6C20H30 (1)
Stoich.:	AB4C6D20E30 (1)
Weight, g/mol:	469.145361
ΔH_f, kcal/mol:	-126.21
Dipole, Da:	10.0
IP(EA), eV:	-8.5(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)C2=NC=C(C=C2)CNC(=O)CCNS(=O)(=O)C3=CN(C(=N3)C)C

DOS

IR

Vibrations