Geometry & MOs

Info

ID:	148692
PubChem CID:	53788361
Reduced:	S2N5O7C23H29 (1)
Stoich.:	A2B5C7D23E29 (1)
Weight, g/mol:	441.168856
ΔH_f, kcal/mol:	-182.32
Dipole, Da:	4.27
IP(EA), eV:	-9.16(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 5-isoquinolin-1-yloxy-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-1-carboxylate

Drug info:

PubChemData

Smile

CCC=CC1=C(N2[C@H](C(C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)SC1)C(=O)OCOC(=O)C(C)(C)C

DOS

IR

Vibrations