Geometry & MOs

Info

ID:	437059
PubChem CID:	135214308
Reduced:	ClO2N4H23C27 (1)
Stoich.:	AB2C4D23E27 (1)
Weight, g/mol:	316.045253
ΔH_f, kcal/mol:	26.75
Dipole, Da:	8.08
IP(EA), eV:	-8.36(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-oxo-5-phenyl-3,4-dihydrothieno[2,3-e][1,4]diazepin-3-yl)thiourea

Drug info:

PubChemData

Smile

CC1C(C=CC2=C1C=CN2)C3=NC4=C(C=C(C=C4)C(=O)O)N=C3N5CCCC6=C5C=CC(=C6)Cl

DOS

IR

Vibrations