Geometry & MOs

Info

ID:	68017
PubChem CID:	46507608
Reduced:	BrN3O4H16C18 (1)
Stoich.:	AB3C4D16E18 (1)
Weight, g/mol:	368.117235
ΔH_f, kcal/mol:	-35.9
Dipole, Da:	8.28
IP(EA), eV:	-7.87(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-[3-[(2-fluorophenyl)carbamoyl]chromen-2-ylidene]amino] butanoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C2=C(OC3=C(NC=C(C3=C2)CO)C)N=O)Br

DOS

IR

Vibrations