Geometry & MOs

Info

ID:	58057
PubChem CID:	24423789
Reduced:	SN4H16C17 (1)
Stoich.:	AB4C16D17 (1)
Weight, g/mol:	326.166414
ΔH_f, kcal/mol:	104.13
Dipole, Da:	8.8
IP(EA), eV:	-8.61(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-bis(2-methoxyethyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea

Drug info:

PubChemData

Smile

C1CC1NC(=S)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3

DOS

IR

Vibrations