Geometry & MOs

Info

ID:	383420
PubChem CID:	134975128
Reduced:	NSO3H19C22 (1)
Stoich.:	ABC3D19E22 (1)
Weight, g/mol:	518.362077
ΔH_f, kcal/mol:	-44.66
Dipole, Da:	7.18
IP(EA), eV:	-8.88(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(2R,4S,5S)-5-(but-1-en-2-ylamino)-4-methyl-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

DOS

IR

Vibrations