Geometry & MOs

Info

ID:	61036
PubChem CID:	26704592
Reduced:	ClN4O5C25H27 (1)
Stoich.:	AB4C5D25E27 (1)
Weight, g/mol:	495.211784
ΔH_f, kcal/mol:	-166.2
Dipole, Da:	4.19
IP(EA), eV:	-8.83(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[4-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(3-methoxypropyl)carbamoyl]phenyl]carbamate

Drug info:

PubChemData

Smile

COCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)[C@@H]3CC4=C(C=CC(=C4)Cl)OC3

DOS

IR

Vibrations