Geometry & MOs

Info

ID:	440827
PubChem CID:	135231720
Reduced:	SN2O5C24H38 (1)
Stoich.:	AB2C5D24E38 (1)
Weight, g/mol:	489.148905
ΔH_f, kcal/mol:	-237.25
Dipole, Da:	4.09
IP(EA), eV:	-9.19(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[(R)-tert-butylsulfinyl]amino]-3-[2-chloro-5-[(5-prop-1-ynylpyridine-2-carbonyl)amino]phenyl]butanoate

Drug info:

PubChemData

Smile

CC(=CCC/C(=C/CC/C(=C/CSC[C@@H](C(=O)O)NC(=O)N1CCC[C@H]1C(=O)O)/C)/C)C

DOS

IR

Vibrations