Geometry & MOs

Info

ID:	379193
PubChem CID:	134356706
Reduced:	BrClN3O4C18H25 (1)
Stoich.:	ABC3D4E18F25 (1)
Weight, g/mol:	382.1904
ΔH_f, kcal/mol:	-191.41
Dipole, Da:	4.78
IP(EA), eV:	-9.86(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[(3-fluorobenzoyl)amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)CCl)NC(=O)C1=C(N=CC=C1)Br

DOS

IR

Vibrations