Geometry & MOs

Info

ID:	234654
PubChem CID:	92303244
Reduced:	NBr2O2H13C14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	349.182398
ΔH_f, kcal/mol:	-62.06
Dipole, Da:	0.32
IP(EA), eV:	-9.28(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-(2-oxo-3,3a,4,5,5a,6,7,8,8a,8b-decahydroacenaphthylen-1-ylidene)amino]-3-[[(2S)-oxolan-2-yl]methyl]thiourea

Drug info:

PubChemData

Smile

C1[C@H]2[C@H](C[C@H]([C@@H]1Br)Br)C(=O)N(C2=O)C3=CC=CC=C3

DOS

IR

Vibrations