Geometry & MOs

Info

ID:	191813
PubChem CID:	78188842
Reduced:	SN3O5C21H37 (1)
Stoich.:	AB3C5D21E37 (1)
Weight, g/mol:	553.199505
ΔH_f, kcal/mol:	-243.08
Dipole, Da:	3.0
IP(EA), eV:	-9.34(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pyridin-3-ylmethyl N-[4-[2,1,3-benzoxadiazol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C)O)S(=O)(=O)N(C)C

DOS

IR

Vibrations