Geometry & MOs

Info

ID:	281457
PubChem CID:	103913903
Reduced:	ON2C8H15 (2)
Stoich.:	AB2C8D15 (2)
Weight, g/mol:	346.192629
ΔH_f, kcal/mol:	-102.56
Dipole, Da:	2.84
IP(EA), eV:	-9.09(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-cyclopropyl-N-[3-[(1,1-dioxothian-3-yl)amino]propyl]carbamate

Drug info:

PubChemData

Smile

CCN(CCCNC(C)C1=NC=CN1C)C(=O)OC(C)(C)C

DOS

IR

Vibrations