Geometry & MOs

Info

ID:	74738
PubChem CID:	48422379
Reduced:	ClF2N2O4H17C18 (1)
Stoich.:	AB2C2D4E17F18 (1)
Weight, g/mol:	307.153206
ΔH_f, kcal/mol:	-244.62
Dipole, Da:	7.17
IP(EA), eV:	-9.13(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[[2-(dimethylamino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)NC2=CC(=C(C=C2)OC(F)F)Cl

DOS

IR

Vibrations