Geometry & MOs

Info

ID:	49621
PubChem CID:	11533394
Reduced:	SN3O6C25H29 (1)
Stoich.:	AB3C6D25E29 (1)
Weight, g/mol:	499.225326
ΔH_f, kcal/mol:	-184.11
Dipole, Da:	3.99
IP(EA), eV:	-8.88(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylbutanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=C(O2)C)COC3=CC=C(C=C3)CN(CC(=O)O)S(=O)(=O)N4CCCC4

DOS

IR

Vibrations