Geometry & MOs

Info

ID:	190591
PubChem CID:	78025231
Reduced:	Cl2S2N5O5C21H27 (1)
Stoich.:	A2B2C5D5E21F27 (1)
Weight, g/mol:	484.099034
ΔH_f, kcal/mol:	-170.24
Dipole, Da:	6.72
IP(EA), eV:	-9.24(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanylcyclohexa-2,4-diene-1-carboxylate

Drug info:

PubChemData

Smile

C1COC(CN1CC2CC=C(C(=C2)Cl)Cl)CNC(=O)CSC3=NC(=CS3)C(=O)NC(CO)C(=O)N

DOS

IR

Vibrations