Geometry & MOs

Info

ID:	298520
PubChem CID:	117650549
Reduced:	N4O8C31H54 (1)
Stoich.:	A4B8C31D54 (1)
Weight, g/mol:	254.094294
ΔH_f, kcal/mol:	-354.5
Dipole, Da:	5.41
IP(EA), eV:	-9.1(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-6-propanoylbenzoic acid

Drug info:

PubChemData

Smile

CC(C)[C@H](COC(=O)NCCCCCCNC(=O)CN)NC(=O)OC1CC[C@]2(CO2)C(C1OC)C3([C@H](O3)CC=C(C)C)C

DOS

IR

Vibrations