Geometry & MOs

Info

ID:	237210
PubChem CID:	92717907
Reduced:	NO3C18H21 (1)
Stoich.:	AB3C18D21 (1)
Weight, g/mol:	348.198383
ΔH_f, kcal/mol:	-74.96
Dipole, Da:	6.52
IP(EA), eV:	-8.39(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-5-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-6H-1,3,4-thiadiazin-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)C2=C(C(=O)C2=O)NC[C@H]3CCCO3)C

DOS

IR

Vibrations