Geometry & MOs

Info

ID:	191807
PubChem CID:	78188836
Reduced:	SN2O8C27H38 (1)
Stoich.:	AB2C8D27E38 (1)
Weight, g/mol:	552.204256
ΔH_f, kcal/mol:	-305.2
Dipole, Da:	5.36
IP(EA), eV:	-8.82(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 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)OC2CCOC2)O)S(=O)(=O)C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations