Geometry & MOs

Info

ID:	58032
PubChem CID:	24423620
Reduced:	SN3O3C16H21 (1)
Stoich.:	AB3C3D16E21 (1)
Weight, g/mol:	314.145285
ΔH_f, kcal/mol:	-102.46
Dipole, Da:	4.61
IP(EA), eV:	-8.87(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-tert-butylphenyl)-3-(3-methoxyphenyl)thiourea

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(=O)C

DOS

IR

Vibrations