Geometry & MOs

Info

ID:	442799
PubChem CID:	135256284
Reduced:	SO3N5C21H21 (1)
Stoich.:	AB3C5D21E21 (1)
Weight, g/mol:	356.184841
ΔH_f, kcal/mol:	-45.91
Dipole, Da:	5.4
IP(EA), eV:	-8.0(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9R,13S)-13-amino-3,9-dimethyl-17,20-dioxa-3,4,7-triazatetracyclo[12.7.1.02,6.016,21]docosa-1(21),2(6),4,14(22),15-pentaen-8-one

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)O)C2=NC=C(C=C2)C(=O)NC3=NC(=C(S3)N)C4=CC=CC=C4

DOS

IR

Vibrations