Geometry & MOs

Info

ID:	179593
PubChem CID:	76506576
Reduced:	N5O6C34H43 (1)
Stoich.:	A5B6C34D43 (1)
Weight, g/mol:	475.144489
ΔH_f, kcal/mol:	-206.43
Dipole, Da:	7.64
IP(EA), eV:	-8.45(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-aminoquinazolin-7-yl)methyl]-4-[2-[(1-chloro-3H-thiophen-4-yl)oxy]acetyl]-3-propylpiperazin-2-one

Drug info:

PubChemData

Smile

CC(C)CC(C(CO)O)NC(=O)C(CC1=CN(CN1C2=CC=CC3=CC=CC=C32)C(=O)C(C)N)NC(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations