Geometry & MOs

Info

ID:	176941
PubChem CID:	76115136
Reduced:	NS2O10H23C24 (1)
Stoich.:	AB2C10D23E24 (1)
Weight, g/mol:	575.20082
ΔH_f, kcal/mol:	-326.01
Dipole, Da:	6.81
IP(EA), eV:	-9.18(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-6-tert-butylphenyl)-4-propyl-3-[[4-[2-(tetrazolidin-5-yl)pyridin-3-yl]phenyl]methyl]imidazol-2-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)C3=CC=C(C=C3)C(=O)O)OC4C(C(C(C(O4)CO)O)O)O

DOS

IR

Vibrations