Geometry & MOs

Info

ID:	401645
PubChem CID:	135051975
Reduced:	N2O5C25H30 (1)
Stoich.:	A2B5C25D30 (1)
Weight, g/mol:	485.2162
ΔH_f, kcal/mol:	-176.75
Dipole, Da:	2.56
IP(EA), eV:	-8.1(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(2E)-2-acetyloxyimino-2-[5-(butoxycarbonylamino)-2-(methylamino)phenyl]ethyl]-3-methoxybenzoate

Drug info:

PubChemData

Smile

CCCCCOC(=O)NC1=CC2=C(C=C1)N(C=C2CC3=C(C=C(C=C3)C(=O)OC)OC)C

DOS

IR

Vibrations