Geometry & MOs

Info

ID:	440835
PubChem CID:	135231766
Reduced:	SN2O5C30H56 (1)
Stoich.:	AB2C5D30E56 (1)
Weight, g/mol:	413.213698
ΔH_f, kcal/mol:	-325.69
Dipole, Da:	7.75
IP(EA), eV:	-8.82(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[(3Z)-4-(2,8-dimethyl-4,5-dihydro-1H-1-benzazepin-3-yl)buta-1,3-dien-2-yl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine

Drug info:

PubChemData

Smile

CC(C)CCCC(C)CCCC(C)CCC/C(=C/CSCC(C(=O)O)NC(=O)C(C(C)CO)NC(=O)C)/C

DOS

IR

Vibrations