Geometry & MOs

Info

ID:	219445
PubChem CID:	85148680
Reduced:	N3O4C29H55 (1)
Stoich.:	A3B4C29D55 (1)
Weight, g/mol:	509.160515
ΔH_f, kcal/mol:	-286.46
Dipole, Da:	5.99
IP(EA), eV:	-9.62(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(4-chlorophenyl)oxolane-2-carbonyl]amino]-3-[4-(2,6-dimethoxyphenyl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CC1CCCCC1)C(C(CC(C)C)O)O)NC(=O)C(CC2CCCCC2)N

DOS

IR

Vibrations