Geometry & MOs

Info

ID:	190434
PubChem CID:	78004376
Reduced:	NSO2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	577.311599
ΔH_f, kcal/mol:	-71.52
Dipole, Da:	5.19
IP(EA), eV:	-9.3(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-[3-amino-3-(3,5-difluorophenyl)-2-hydroxypropyl]-1-N-ethyl-3-N-[1-(3-ethylphenyl)cyclopropyl]-5-methyl-1-N-propylbenzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2C1CN3CCS(=O)(=O)CC3

DOS

IR

Vibrations