Geometry & MOs

Info

ID:	134750
PubChem CID:	51751396
Reduced:	SN2O5C27H30 (1)
Stoich.:	AB2C5D27E30 (1)
Weight, g/mol:	530.197235
ΔH_f, kcal/mol:	-135.79
Dipole, Da:	5.55
IP(EA), eV:	-9.25(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[(1R)-2-(cyclohexylamino)-1-(2-methoxynaphthalen-1-yl)-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)CNC(=O)[C@@H](C2=C(C=C(C=C2)C)C)N(CC3=CC=CO3)C(=O)C(=C)C

DOS

IR

Vibrations