Geometry & MOs

Info

ID:	148127
PubChem CID:	53787789
Reduced:	O3N4S4C15H20 (1)
Stoich.:	A3B4C4D15E20 (1)
Weight, g/mol:	467.205636
ΔH_f, kcal/mol:	-53.9
Dipole, Da:	4.21
IP(EA), eV:	-8.75(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[6-[[4-(N'-propoxycarbonylcarbamimidoyl)benzoyl]amino]-3,4-dihydro-2H-chromen-2-yl]acetate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1=C(CS[C@@H]2N1C(=O)C2N)CSC3=NC(=NS3)SC

DOS

IR

Vibrations