Geometry & MOs

Info

ID:	192288
PubChem CID:	78253075
Reduced:	SN2O3C20H23 (1)
Stoich.:	AB2C3D20E23 (1)
Weight, g/mol:	475.162247
ΔH_f, kcal/mol:	-91.2
Dipole, Da:	0.84
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.766859
Charge, e:	0

Chem-info

IUPAC name:

N-[N-(3-chlorophenyl)-N'-[4-(methoxymethyl)-6-oxo-1,3-diazinan-2-yl]carbamimidoyl]-3,5-dimethoxybenzamide

Drug info:

PubChemData

Smile

CCC1(CC2=C(CO1)SC3=[N+](C(=O)N(C(=O)C23)C4=CC=CC=C4)CC)C

DOS

IR

Vibrations