Geometry & MOs

Info

ID:	55664
PubChem CID:	17395757
Reduced:	N2O5H18C20 (1)
Stoich.:	A2B5C18D20 (1)
Weight, g/mol:	422.144633
ΔH_f, kcal/mol:	-116.72
Dipole, Da:	4.65
IP(EA), eV:	-8.79(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-[[5-(2,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-4-methylpentanoate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1O)O)C2NC3=CC=CC=C3C(=O)N2CC4=CC=CO4

DOS

IR

Vibrations