Geometry & MOs

Info

ID:	232566
PubChem CID:	87576434
Reduced:	ClO2N6C18H23 (1)
Stoich.:	AB2C6D18E23 (1)
Weight, g/mol:	363.179421
ΔH_f, kcal/mol:	-40.95
Dipole, Da:	3.47
IP(EA), eV:	-8.8(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1OC)C)CN2CC(C3=C2N=C(N=C3Cl)N)CCC(=O)N

DOS

IR

Vibrations