Geometry & MOs

Info

ID:	16968
PubChem CID:	481330
Reduced:	SO4N5C22H35 (1)
Stoich.:	AB4C5D22E35 (1)
Weight, g/mol:	465.240976
ΔH_f, kcal/mol:	-161.02
Dipole, Da:	4.5
IP(EA), eV:	-8.61(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[3-[benzenesulfonyl(2-methylpropyl)amino]-2-hydroxypropyl]-5-methylimidazol-2-yl]-3-tert-butylurea

Drug info:

PubChemData

Smile

CC1=CN=C(N1CC(CN(CC(C)C)S(=O)(=O)C2=CC=CC=C2)O)NC(=O)NC(C)(C)C

DOS

IR

Vibrations