Geometry & MOs

Info

ID:	148149
PubChem CID:	53787811
Reduced:	NOC9H12 (2)
Stoich.:	ABC9D12 (2)
Weight, g/mol:	414.153934
ΔH_f, kcal/mol:	-75.22
Dipole, Da:	2.79
IP(EA), eV:	-9.62(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(methoxycarbonylamino)-[5-phenoxy-2-(propanoylamino)anilino]methylidene]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CC1=CC=CC=C1)C2CCC(C2)C#N

DOS

IR

Vibrations