Geometry & MOs

Info

ID:	353350
PubChem CID:	127284679
Reduced:	S2N3O3C13H19 (1)
Stoich.:	A2B3C3D13E19 (1)
Weight, g/mol:	368.130697
ΔH_f, kcal/mol:	-104.24
Dipole, Da:	5.59
IP(EA), eV:	-9.14(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methyl-1,3-thiazol-5-yl)methyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CNC(=O)CSCC(=O)N2CCOCC2

DOS

IR

Vibrations