Geometry & MOs

Info

ID:	132657
PubChem CID:	51394560
Reduced:	NPSCl2O6C19H23 (1)
Stoich.:	ABCD2E6F19G23 (1)
Weight, g/mol:	178.123189
ΔH_f, kcal/mol:	-302.35
Dipole, Da:	9.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.037212
Charge, e:	1

Chem-info

IUPAC name:

tert-butyl-[(4-hydroxyphenyl)methylidene]azanium

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC(=C(C(=C2)Cl)[O-])Cl)P(=O)(OC(C)C)OC(C)C

DOS

IR

Vibrations