Geometry & MOs

Info

ID:	84005
PubChem CID:	49863165
Reduced:	ON5H11C13 (1)
Stoich.:	AB5C11D13 (1)
Weight, g/mol:	561.133445
ΔH_f, kcal/mol:	47.2
Dipole, Da:	6.91
IP(EA), eV:	-9.27(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[3-[5-(3,5-dichlorophenyl)-2-naphthalen-2-ylpyrazol-3-yl]propanoylamino]-3-(1H-imidazol-5-yl)propanoate

Drug info:

PubChemData

Smile

CC(=O)NC1=NC=NC2=C1NC(=N2)C3=CC=CC=C3

DOS

IR

Vibrations