Geometry & MOs

Info

ID:	162551
PubChem CID:	57395040
Reduced:	BFO4H8C10 (1)
Stoich.:	ABC4D8E10 (1)
Weight, g/mol:	552.218426
ΔH_f, kcal/mol:	-235.75
Dipole, Da:	5.95
IP(EA), eV:	-10.07(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[2-[(4-carbamimidoylphenoxy)methyl]-2,4-dimethyl-3H-1,4-benzoxazin-7-yl]-[(3,5-difluorophenyl)methyl]amino]-2-oxoacetate

Drug info:

PubChemData

Smile

B1(C2=C(C=CC(=C2CO1)F)/C=C/C(=O)O)O

DOS

IR

Vibrations