Geometry & MOs

Info

ID:	359271
PubChem CID:	127297867
Reduced:	N3O3C23H29 (1)
Stoich.:	A3B3C23D29 (1)
Weight, g/mol:	346.146347
ΔH_f, kcal/mol:	-94.29
Dipole, Da:	1.16
IP(EA), eV:	-8.9(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(3,4-dihydro-2H-chromen-4-ylmethyl)urea

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C2=CC=CC=C2NC(=O)NCC3CCOC4=CC=CC=C34

DOS

IR

Vibrations