Geometry & MOs

Info

ID:	222911
PubChem CID:	85333094
Reduced:	ClNOC39H80 (1)
Stoich.:	ABCD39E80 (1)
Weight, g/mol:	621.229583
ΔH_f, kcal/mol:	-140.62
Dipole, Da:	78.2
IP(EA), eV:	-5.03(-2.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butylsulfonyl-N-[1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-2-[(2,2,2-trifluoroacetyl)amino]propanamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCC=CCCCCCCCC)CCO.[Cl-]

DOS

IR

Vibrations