Geometry & MOs

Info

ID:	191803
PubChem CID:	78188832
Reduced:	FSN2O5C25H33 (1)
Stoich.:	ABC2D5E25F33 (1)
Weight, g/mol:	547.195249
ΔH_f, kcal/mol:	-227.94
Dipole, Da:	4.14
IP(EA), eV:	-9.56(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pyridin-2-ylmethyl N-[4-[(3,4-difluorophenyl)sulfonyl-(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)OCC(=C)C)O)S(=O)(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations