Geometry & MOs

Info

ID:	33800
PubChem CID:	7888174
Reduced:	S2N3O3C20H25 (1)
Stoich.:	A2B3C3D20E25 (1)
Weight, g/mol:	334.152872
ΔH_f, kcal/mol:	-104.55
Dipole, Da:	1.49
IP(EA), eV:	-8.63(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methoxyethylamino)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CCCN(C1)C(=O)CSC2=NC(=NC3=C2C4=C(S3)CCC4)C

DOS

IR

Vibrations