Geometry & MOs

Info

ID:	14084
PubChem CID:	403785
Reduced:	SN3O5C16H21 (1)
Stoich.:	AB3C5D16E21 (1)
Weight, g/mol:	367.120192
ΔH_f, kcal/mol:	-213.54
Dipole, Da:	2.58
IP(EA), eV:	-9.62(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]sulfanylcarbonylamino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCNC(=O)SC1=CC=CC=C1C(=O)NCCC(=O)N

DOS

IR

Vibrations