Geometry & MOs

Info

ID:	427748
PubChem CID:	135161983
Reduced:	SO5N6C31H38 (1)
Stoich.:	AB5C6D31E38 (1)
Weight, g/mol:	316.207216
ΔH_f, kcal/mol:	-120.99
Dipole, Da:	8.3
IP(EA), eV:	-9.11(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sulfanyl 5-ethyl-3-formyl-5-methyl-3-(3-methylpentan-3-yl)heptanoate

Drug info:

PubChemData

Smile

CC1CN(CCS1)C(=O)C2=C(C=C(C=C2)NC3=C4C(=CC=NC4=O)N(N3)[C@@]5(CC[C@H](OC5)C(=O)OCC(C)C)CC#N)C

DOS

IR

Vibrations