Geometry & MOs

Info

ID:	370412
PubChem CID:	127338499
Reduced:	SO2N4C21H22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	364.189926
ΔH_f, kcal/mol:	-30.01
Dipole, Da:	5.16
IP(EA), eV:	-8.78(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N3CCCC3=N2)C(=O)N4CCCN(C5=CC=CC=C54)C

DOS

IR

Vibrations