Geometry & MOs

Info

ID:	186793
PubChem CID:	77485830
Reduced:	N7C30H43 (1)
Stoich.:	A7B30C43 (1)
Weight, g/mol:	415.07945
ΔH_f, kcal/mol:	43.87
Dipole, Da:	3.47
IP(EA), eV:	-8.56(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 3-(5-bromo-2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate

Drug info:

PubChemData

Smile

CCN1CCC(CC1)NC2C3CCCC2CC(C3)CNC4=NC(=NC=C4C#N)NCC5=CC=CC=C5C

DOS

IR

Vibrations