Geometry & MOs

Info

ID:	440297
PubChem CID:	135230244
Reduced:	ClN4O5C22H27 (1)
Stoich.:	AB4C5D22E27 (1)
Weight, g/mol:	522.02558
ΔH_f, kcal/mol:	-186.61
Dipole, Da:	5.52
IP(EA), eV:	-8.67(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-[[6-bromo-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H](C(=O)N1C[C@@H](CC1C(=O)N)OC2=NC=C(C3=C2C=C(C=C3)Cl)OC)NC=O

DOS

IR

Vibrations