Geometry & MOs

Info

ID:	62016
PubChem CID:	26717008
Reduced:	O2N3C25H27 (1)
Stoich.:	A2B3C25D27 (1)
Weight, g/mol:	480.181585
ΔH_f, kcal/mol:	-41.48
Dipole, Da:	5.22
IP(EA), eV:	-8.68(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-chlorobenzoyl)amino]phenyl] 3-(adamantane-1-carbonylamino)propanoate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC2=CC=CC=C2C=C1)NC(=O)C3CCN(CC3)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations