Geometry & MOs

Info

ID:	191149
PubChem CID:	78112050
Reduced:	Cl2N2O2F3H17C21 (1)
Stoich.:	A2B2C2D3E17F21 (1)
Weight, g/mol:	578.310435
ΔH_f, kcal/mol:	-199.45
Dipole, Da:	6.74
IP(EA), eV:	-8.77(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[5-[[7-(methylamino)-7-oxo-1-phenylhepta-3,5-dien-2-yl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentyl]carbamate

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C34CCN(C3C5=C(C(=CC(=C5)Cl)Cl)OC4N2C)C(=O)C(F)(F)F

DOS

IR

Vibrations