Geometry & MOs

Info

ID:	64518
PubChem CID:	29202749
Reduced:	S2O4N5C19H29 (1)
Stoich.:	A2B4C5D19E29 (1)
Weight, g/mol:	455.166097
ΔH_f, kcal/mol:	-149.65
Dipole, Da:	6.0
IP(EA), eV:	-8.81(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[1-butyl-5-(diethylsulfamoyl)benzimidazol-2-yl]sulfanyl-N-carbamoylpropanamide

Drug info:

PubChemData

Smile

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1S[C@@H](C)C(=O)NC(=O)N

DOS

IR

Vibrations