Geometry & MOs

Info

ID:	61160
PubChem CID:	26706425
Reduced:	N2O5C25H26 (1)
Stoich.:	A2B5C25D26 (1)
Weight, g/mol:	454.189257
ΔH_f, kcal/mol:	-167.53
Dipole, Da:	4.07
IP(EA), eV:	-8.96(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)C1=CC=CC=C1NC(=O)COC2=CC3=C(C=C2)C4=C(CCC4)C(=O)O3

DOS

IR

Vibrations