Geometry & MOs

Info

ID:	149372
PubChem CID:	53789044
Reduced:	NC5H5 (1)
Stoich.:	AB5C5 (1)
Weight, g/mol:	644.317412
ΔH_f, kcal/mol:	64.74
Dipole, Da:	2.93
IP(EA), eV:	-9.93(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(aminomethyl)-N-[(2R)-1-[[(2R)-3-(3,4-difluorophenyl)-1-[(3-hydroxy-2,2-dimethylpropyl)amino]-1-oxopropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylbenzamide

Drug info:

PubChemData

Smile

C=C1C=CN=C1

DOS

IR

Vibrations