Geometry & MOs

Info

ID:	413183
PubChem CID:	135086129
Reduced:	SN2C18H22 (1)
Stoich.:	AB2C18D22 (1)
Weight, g/mol:	298.189257
ΔH_f, kcal/mol:	63.72
Dipole, Da:	1.61
IP(EA), eV:	-8.31(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl N-hept-2-ynyl-N-(propan-2-yloxycarbonylamino)carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=N/NC(C)(C)C)/C=C/C2=CC=CS2

DOS

IR

Vibrations