Geometry & MOs

Info

ID:	231120
PubChem CID:	87572698
Reduced:	FO2N9C24H30 (1)
Stoich.:	AB2C9D24E30 (1)
Weight, g/mol:	363.215806
ΔH_f, kcal/mol:	-8.03
Dipole, Da:	8.89
IP(EA), eV:	-9.14(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (NE)-N-[(4-ethylanilino)-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate

Drug info:

PubChemData

Smile

C[C@](C=O)(N)NC1CCC(CC1)NC2=NN3C(=CN=C3C(=C2)NC4CC4)C(=O)NC5=C(C=NC=C5)F

DOS

IR

Vibrations