Geometry & MOs

Info

ID:	185395
PubChem CID:	77295220
Reduced:	N2O2H12C13 (2)
Stoich.:	A2B2C12D13 (2)
Weight, g/mol:	503.175789
ΔH_f, kcal/mol:	-75.61
Dipole, Da:	8.43
IP(EA), eV:	-8.51(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-chlorophenyl)-3-[4-(5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]-propan-2-ylcarbamic acid

Drug info:

PubChemData

Smile

COC(=O)CNCC1=CC=C(C=C1)NC(=C2C3=C(C=C(C=C3)C(=O)N)NC2=O)C4=CC=CC=C4

DOS

IR

Vibrations