Geometry & MOs

Info

ID:	163562
PubChem CID:	58035010
Reduced:	O5N10C35H44 (1)
Stoich.:	A5B10C35D44 (1)
Weight, g/mol:	206.108899
ΔH_f, kcal/mol:	-118.83
Dipole, Da:	3.3
IP(EA), eV:	-8.59(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-methyl-3-N-(methyl-methylidene-oxo-lambda6-sulfanyl)oxane-3,4-diamine

Drug info:

PubChemData

Smile

COC(=O)N[C@@H]1C[C@@H]([C@@H]([C@@H]1O)O)N2C=NC3=C(N=C(N=C32)N4CC[C@H](C4)NC(=O)N[C@H]5CCNC5)NCC(C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations