Geometry & MOs

Info

ID:	194174
PubChem CID:	78493842
Reduced:	SN3O4C17H23 (1)
Stoich.:	AB3C4D17E23 (1)
Weight, g/mol:	400.178041
ΔH_f, kcal/mol:	-166.53
Dipole, Da:	7.59
IP(EA), eV:	-9.07(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-6-oxo-1,3-diazinan-4-yl]acetate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)CSC2NC(CC(=O)N2)CC(=O)OC

DOS

IR

Vibrations