Geometry & MOs

Info

ID:	393297
PubChem CID:	135020033
Reduced:	N10O11C40H74 (1)
Stoich.:	A10B11C40D74 (1)
Weight, g/mol:	319.084458
ΔH_f, kcal/mol:	-615.46
Dipole, Da:	7.59
IP(EA), eV:	-9.61(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-nitrophenyl)-1,2-dihydrobenzo[f]chromen-3-one

Drug info:

PubChemData

Smile

CC[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)O)NC(=O)C(CC(C)C)NC(=O)[C@H](C(C)CC)NC(=O)CN

DOS

IR

Vibrations